Azocarmine G - Biological stain , CAS No.25641-18-3

CAS: 25641-18-3 Cat. No.: A113296 Molecular Weight: 579.58 EC Number: 247-157-3

GRADE & PURITY Biological stain

Synonyms

AKOS024319284 | Benzo[a]phenazinium,7-phenylsulfo-5-[(4-sulfophenyl)amino]-, inner salt, sodium salt (1:1) | Acid Red 101 | Acid Red 101 and Rosinduline | C.I. 50085 | AKOS015902996 | sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonat

Storage

Room temperature

Shipped In

Normal

Overview

Azocarmine G is a synthetic dye, commonly used in food and beverages to restore their original appearance, in situations where, the color is affected by processing, storage, packaging and distribution. Azocarmine G is useful for protein determination in acidic medium. It is indicated by the formation of purple-red complex.

Specifications

Synonyms

AKOS024319284 | Benzo[a]phenazinium, 7-phenylsulfo-5-[(4-sulfophenyl)amino]-, inner salt, sodium salt (1:1) | Acid Red 101 | Acid Red 101 and Rosinduline | C.I. 50085 | AKOS015902996 | sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonat

Specifications & Purity

Biological stain

Storage

Room temperature

Shipped In

Normal

Grade

Biological stain

Names and Identifiers

• Pubchem Sid: 488199025
• Canonical Smiles: C1=CC=C(C=C1)[N+]2=C3C=C(C4=C(C3=NC5=CC=CC=C52)C=CC(=C4)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonate
• InChIKey: LUERODMRBLNCFK-UHFFFAOYSA-M
• INCHI: 1S/C28H19N3O6S2.Na/c32-38(33,34)20-12-10-18(11-13-20)29-25-17-27-28(22-15-14-21(16-23(22)25)39(35,36)37)30-24-8-4-5-9-26(24)31(27)19-6-2-1-3-7-19;/h1-17H,(H2,32,33,34,35,36,37);/q;+1/p-1
• Isomeric SMILES: C1=CC=C(C=C1)[N+]2=C3C=C(C4=C(C3=NC5=CC=CC=C52)C=CC(=C4)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• Molecular Weight: 579.58
• Reaxy-Rn: 20197903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20197903&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinoxalines
          • Level6 Phenazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinoxalines
• Direct Parent: Phenazines and derivatives
• Alternative Parents: 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines Pyrazinium compounds Pyrazines Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary amines Azacyclic compounds Organic oxides Organic sodium salts Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenazine - Naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Monocyclic benzene moiety - Pyrazine - Pyrazinium - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Secondary amine - Azacycle - Organic sodium salt - Amine - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water (1 mg/ml).
• Molecular Weight: 579.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 579.053 Da
• Monoisotopic Mass: 579.053 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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